N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine

C14H20N4 — CID 62490912

IUPACN-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(-n2ccc(C(C)C)n2)ccn1
InChIInChI=1S/C14H20N4/c1-4-15-10-12-9-13(5-7-16-12)18-8-6-14(17-18)11(2)3/h5-9,11,15H,4,10H2,1-3H3
InChIKeyUGVPQUGKPWPDGH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.50
Rot. Bonds5

About N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine

N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 62490912) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID62490912
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(-n2ccc(C(C)C)n2)ccn1
InChIInChI=1S/C14H20N4/c1-4-15-10-12-9-13(5-7-16-12)18-8-6-14(17-18)11(2)3/h5-9,11,15H,4,10H2,1-3H3
InChIKeyUGVPQUGKPWPDGH-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine (CID 62490912) is N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1cc(-n2ccc(C(C)C)n2)ccn1.
What is the InChIKey of N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is UGVPQUGKPWPDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-15-10-12-9-13(5-7-16-12)18-8-6-14(17-18)11(2)3/h5-9,11,15H,4,10H2,1-3H3.
What are the key properties of N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine?
N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62490912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).